sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride

C14H13ClNNaO4S2 — CID 173126009

IUPACsodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[H-].[Na+]
InChIInChI=1S/C14H12ClNO4S2.Na.H/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;;/h2-9H,1H3,(H,16,17);;/q;+1;-1/b8-6+;;
InChIKeyFENQAYZAHHULSY-OVGXCEQFSA-N
MW381.84 g/mol
LogP0.26
Rot. Bonds5

About sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride

sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride (PubChem CID 173126009) has the molecular formula C14H13ClNNaO4S2 and a molecular weight of 381.84 g/mol. Its IUPAC name is sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride.

Molecular Properties

Compound Namesodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride
PubChem CID173126009
Molecular FormulaC14H13ClNNaO4S2
Molecular Weight381.84 g/mol
Exact Mass380.99
IUPAC Namesodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[H-].[Na+]
InChIInChI=1S/C14H12ClNO4S2.Na.H/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;;/h2-9H,1H3,(H,16,17);;/q;+1;-1/b8-6+;;
InChIKeyFENQAYZAHHULSY-OVGXCEQFSA-N
XLogP0.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
CID 2408294
4-chloro-5-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-2-methoxy-N-(3-methoxyphenyl)sulfonylbenzamide
CID 127043211
4-chloro-N-(4-chlorophenyl)sulfonyl-2-methoxybenzamide
CID 11239220
Methyl 5-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carbonyl]sulfamoyl]-2-methoxybenzoate
CID 54757904
5-[[3-[(3,4-Dichlorophenyl)methylsulfanyl]thiophene-2-carbonyl]sulfamoyl]-2-methoxybenzoate
CID 72200410
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 71940232
2-[(5-Chlorothiophen-2-yl)methoxy]benzamide
CID 45843355
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(difluoromethoxy)benzamide
CID 112839221
N-(2,5-dichlorothiophen-3-yl)sulfonyl-5-fluoro-2-methoxybenzamide
CID 112839236
5-chloro-N'-(5-chlorothiophen-2-yl)sulfonyl-2-methoxybenzohydrazide
CID 2105717
7-Chloro-2-thiophen-2-yl-1,3-benzoxazin-4-one
CID 17390922
4-(2-Chloro-6-methoxyphenyl)thiophene-2-carboxamide
CID 56720330

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride?
The IUPAC name of sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride (CID 173126009) is sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride.
What is the SMILES notation for sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride?
The canonical SMILES for sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[H-].[Na+].
What is the InChIKey of sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride?
The InChIKey is FENQAYZAHHULSY-OVGXCEQFSA-N. The full InChI is InChI=1S/C14H12ClNO4S2.Na.H/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;;/h2-9H,1H3,(H,16,17);;/q;+1;-1/b8-6+;;.
What are the key properties of sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride?
sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride has a molecular weight of 381.84 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-chloro-2-methoxy-N-[(E)-2-thiophen-2-ylethenyl]sulfonylbenzamide;hydride is sourced from PubChem (CID 173126009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).